SCHEMBL27485651

SCHEMBL27485651

COc1c(C)c(C(=O)c2c(C)cc(C)cc2C)c(C)c(OC)c1C(=O)[P](=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GFER P55789 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CRHR1 P34998 3/20 0.34
▸ ABCB1 P08183 2/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27499973 0.90 ABCB1 (0.37) KMT2AHPGDMEN1NPSR1GFER
SCHEMBL615242 0.81 LMNA (0.37) KMT2AHPGDMEN1NPSR1MAPT
SCHEMBL28781833 0.79 LMNA (0.36) KMT2AHPGDMEN1NPSR1SMN1; SMN2
SCHEMBL2909743 0.79 LMNA (0.36) KMT2AHPGDMEN1NPSR1SMN1; SMN2
SCHEMBL2919385 0.79 LMNA (0.36) KMT2AHPGDMEN1NPSR1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2909573 0.79 LMNA (0.36) KMT2AHPGDMEN1NPSR1SMN1; SMN2
SCHEMBL27554102 0.78 CRHR1 (0.36) KMT2AHPGDMEN1NPSR1SMN1; SMN2
Benzophenone SCHEMBL28167645 0.77 ALDH1A1 (0.42) KMT2AHPGDMEN1NPSR1TDP1
SCHEMBL27499051 0.77 NFE2L2 (0.35) KMT2AHPGDMEN1NPSR1SMN1; SMN2
SCHEMBL27485331 0.75 CYP3A4 (0.35) KMT2AHPGDMEN1CYP3A4TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 — — CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 — — CN disclosed
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